N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide

C18H22ClN3O3 — CID 25162253

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClN3O3/c1-5-14-17(12(4)25-21-14)18(24)22(6-2)10-16(23)20-15-9-13(19)8-7-11(15)3/h7-9H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyKFFXOLXBDVJGPV-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25162253) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID25162253
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClN3O3/c1-5-14-17(12(4)25-21-14)18(24)22(6-2)10-16(23)20-15-9-13(19)8-7-11(15)3/h7-9H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyKFFXOLXBDVJGPV-UHFFFAOYSA-N
XLogP3.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9268164
5-amino-N-(3-chloro-4-fluorophenyl)-3-ethylisoxazole-4-carboxamide
CID 715872
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1015763
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1744826
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-2-methyl-phenyl)-amide
CID 11517629
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-propylisoxazole-4-carboxamide
CID 11539587
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [4-(ethyl-propyl-amino)-phenyl]-amide
CID 11582836
3-(2,6-Dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-ethyl-4-isoxazolecarboxamide
CID 11626181
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-ethylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 11669486
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618052

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 25162253) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KFFXOLXBDVJGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-5-14-17(12(4)25-21-14)18(24)22(6-2)10-16(23)20-15-9-13(19)8-7-11(15)3/h7-9H,5-6,10H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25162253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).